methyl 1-[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-nitro-6-[(4-phenyldiazenylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-phenyldiazenylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(4-phenyldiazenylanilino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C23H23N7O4 MolecularWeight: 461.47322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N7O4/c1-34-23(31)16-11-13-29(14-12-16)22-20(30(32)33)21(24-15-25-22)26-17-7-9-19(10-8-17)28-27-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,24,25,26)